SCHEMBL6142240

SCHEMBL6142240

C=CCC[C@H]1CC[C@H](C#Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 2/20 0.33
HAO1 Q9UJM8 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.30
MAOB P27338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9246673 0.96 FFAR1 (0.35) FFAR1FFAR4MAOB
SCHEMBL9246670 0.96 FFAR1 (0.35) FFAR1FFAR4MAOB
SCHEMBL9246398 0.88 FFAR1 (0.34) FFAR1FFAR4CYP46A1MAOB
SCHEMBL9246386 0.88 FFAR1 (0.34) FFAR1FFAR4CYP46A1MAOB
SCHEMBL6141779 0.86 FFAR1 (0.38) FFAR1FFAR4HAO1MAOB
SCHEMBL9245057 0.85 MCHR1 (0.41) MAOB
SCHEMBL9245055 0.85 MCHR1 (0.41) MAOB
SCHEMBL9245835 0.84 LMNA (0.31)
SCHEMBL9245827 0.84 LMNA (0.31)
SCHEMBL6142158 0.83 FFAR1 (0.36) FFAR1FFAR4HAO1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP disclosed
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed